CID 42281873

2-bromo-4-tert-butyl-1,3-thiazole

Structural Information

Molecular Formula
C7H10BrNS
SMILES
CC(C)(C)C1=CSC(=N1)Br
InChI
InChI=1S/C7H10BrNS/c1-7(2,3)5-4-10-6(8)9-5/h4H,1-3H3
InChIKey
ILKZEOZQPGBUCV-UHFFFAOYSA-N
Compound name
2-bromo-4-tert-butyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

99
Patents

218.97173 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.97901 134.8
[M+Na]+ 241.96095 137.2
[M+NH4]+ 237.00555 140.4
[M+K]+ 257.93489 137.6
[M-H]- 217.96445 134.7
[M+Na-2H]- 239.94640 137.5
[M]+ 218.97118 134.4
[M]- 218.97228 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe